SCHEMBL14818751

SCHEMBL14818751

Cc1cccc(N2C[C@@H](C)O[C@@H](C)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
GRIN2B Q13224 4/20 0.50
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PRKDC P78527 1/20 0.42
PDE10A Q9Y233 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31401461 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGRIN2BKMT2A
SCHEMBL10183489 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGRIN2BKMT2A
SCHEMBL22163204 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGRIN2BKMT2A
SCHEMBL2722843 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGRIN2BKMT2A
SCHEMBL2722842 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGRIN2BKMT2A
SCHEMBL2131669 0.81 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23705659 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL23705662 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL30657941 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL14803615 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EGAAGRIN2BKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365560-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-16 US disclosed
WO-2023220219-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-20230365560-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-16 US disclosed
WO-2021155264-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 WO disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 HTR3E 2159/4885HTR3B 1466/4885HTR3A 1161/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A HTR3E 2175/4885HTR3B 1408/4885HTR3A 1163/4885
US-20230365560-A1 COMPOUNDS AND USES THEREOF BRCA1, VHL, TFEB HTR3E 3049/4885HTR3B 2786/4885HTR3A 3865/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH HTR3E 689/4885HTR3B 336/4885HTR3A 1495/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.